3988-0543 Screening compound: N-(2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide

3988-0543 Screening compound: N-(2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide
3988-0543 Screening compound: N-(2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3988-0543
N-(2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3988-0543

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

N-(2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-(2-{[(1-butyl-1H-13-benzodiazol-2-yl)amino]methyl}phenyl)-4-methylbenzene-1-sulfonamide

SMILES

CCCCn1c(NCc(cccc2)c2NS(c2ccc(C)cc2)(=O)=O)nc2c1cccc2

InChI

InChI=1S/C25H28N4O2S/c1-3-4-17-29-24-12-8-7-11-23(24)27-25(29)26-18-20-9-5-6-10-22(20)28-32(30,31)21-15-13-19(2)14-16-21/h5-16,28H,3-4,17-18H2,1-2H3,(H,26,27)

InChI Key

IFTQTIBCRQQXMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02920617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.985

Distribution Coefficient, logD

5.891

Water Solubility, LogSw

-5.51

Polar Surface Area

62.511

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

3988-0543 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3988-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3988-0543?
Check Price and Availability of 3988-0543, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3988-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3988-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3988-0543
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3988-0543 available by request